5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline

C19H24N2O — CID 39407103

IUPAC5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
SMILESCCc1ccc(Cc2ccc(N3CCOCC3)c(N)c2)cc1
InChIInChI=1S/C19H24N2O/c1-2-15-3-5-16(6-4-15)13-17-7-8-19(18(20)14-17)21-9-11-22-12-10-21/h3-8,14H,2,9-13,20H2,1H3
InChIKeyKRNOTKMWELEOFQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.26
Rot. Bonds4

About 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline

5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline (PubChem CID 39407103) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
PubChem CID39407103
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
SMILESCCc1ccc(Cc2ccc(N3CCOCC3)c(N)c2)cc1
InChIInChI=1S/C19H24N2O/c1-2-15-3-5-16(6-4-15)13-17-7-8-19(18(20)14-17)21-9-11-22-12-10-21/h3-8,14H,2,9-13,20H2,1H3
InChIKeyKRNOTKMWELEOFQ-UHFFFAOYSA-N
XLogP3.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline?
The IUPAC name of 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline (CID 39407103) is 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline.
What is the SMILES notation for 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline?
The canonical SMILES for 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline is CCc1ccc(Cc2ccc(N3CCOCC3)c(N)c2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline?
The InChIKey is KRNOTKMWELEOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-15-3-5-16(6-4-15)13-17-7-8-19(18(20)14-17)21-9-11-22-12-10-21/h3-8,14H,2,9-13,20H2,1H3.
What are the key properties of 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline?
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline has a molecular weight of 296.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline is sourced from PubChem (CID 39407103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).